#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khr s SER 2 N 0.00 4.51 -0.37 1.61 0.15 -1.26 -5.05 113.70 113.30 2khr s SER 2 Ca 0.00 -0.54 0.12 0.00 0.70 0.00 0.00 55.95 56.23 2khr s SER 2 Cb 0.00 -0.86 0.42 0.00 -1.71 0.00 0.00 66.02 63.87 2khr s SER 2 CO 0.00 0.07 1.21 0.00 1.20 0.00 0.00 173.24 175.71 2khr n HIS 3 N -0.32 -1.10 -4.34 3.44 1.44 -1.26 -4.97 115.22 108.12 2khr n HIS 3 Ca -0.09 -2.24 -0.34 0.00 -2.01 0.00 0.00 57.72 53.04 2khr n HIS 3 Cb 0.56 0.86 -0.08 0.00 0.12 0.00 0.00 29.99 31.45 2khr n HIS 3 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2khr n MET 4 N -0.41 -1.34 0.03 -1.40 0.00 -1.26 -4.85 117.12 107.88 2khr n MET 4 Ca 0.01 0.17 -0.10 0.00 0.00 0.00 0.00 57.70 57.78 2khr n MET 4 Cb 0.84 -4.15 -0.13 0.00 0.00 0.00 0.00 33.22 29.77 2khr n MET 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2khr h SER 5 N -1.50 0.08 -2.89 3.17 4.64 -1.98 -3.45 113.55 111.62 2khr h SER 5 Ca -0.63 -0.12 -0.56 0.00 -0.47 0.00 0.00 61.79 60.01 2khr h SER 5 Cb 1.39 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.43 2khr h SER 5 CO 0.76 1.10 0.89 -0.89 -0.87 0.00 0.00 176.83 177.82 2khr s THR 6 N -2.65 4.06 0.18 2.95 2.01 -1.26 -4.98 115.64 115.96 2khr s THR 6 Ca -0.03 1.33 -0.32 0.00 0.31 0.00 0.00 61.69 62.98 2khr s THR 6 Cb 0.09 -3.86 -0.11 0.00 0.01 0.00 0.00 72.50 68.63 2khr s THR 6 CO 0.83 -0.08 1.63 0.54 -0.69 0.00 0.00 174.62 176.85 2khr s ASN 7 N 2.11 6.50 0.00 3.53 2.20 -1.26 -4.87 114.94 123.15 2khr s ASN 7 Ca 0.60 2.72 0.00 0.00 -0.94 0.00 0.00 52.86 55.23 2khr s ASN 7 Cb -0.26 -2.60 0.00 0.00 -2.00 0.00 0.00 41.25 36.39 2khr s ASN 7 CO 0.20 -0.88 1.00 -0.81 -2.94 0.00 0.00 177.10 173.67 2khr n PRO 8 N 3.95 0.96 -3.10 3.55 -0.04 -1.26 -4.66 135.00 134.40 2khr n PRO 8 Ca 0.15 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.16 2khr n PRO 8 Cb 0.37 -1.02 -0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2khr n PRO 8 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2khr s PHE 9 N 0.04 3.76 0.24 0.54 0.08 -1.26 -5.00 117.98 116.38 2khr s PHE 9 Ca 0.00 -2.28 0.02 0.00 0.12 0.00 0.00 56.93 54.79 2khr s PHE 9 Cb 0.00 -4.12 -0.04 0.00 -0.57 0.00 0.00 43.02 38.29 2khr s PHE 9 CO 0.00 -1.23 0.40 0.16 -0.10 0.00 0.00 175.22 174.45 2khr s ASP 10 N 2.32 6.34 0.00 1.36 1.47 -1.26 -5.01 116.67 121.88 2khr s ASP 10 Ca 0.37 0.26 0.00 0.00 1.18 0.00 0.00 52.55 54.36 2khr s ASP 10 Cb -0.06 -1.95 0.00 0.00 -0.34 0.00 0.00 42.92 40.57 2khr s ASP 10 CO -0.04 -0.09 0.00 -0.67 0.68 0.00 0.00 175.17 175.05 2khr n ASP 11 N -1.12 1.19 -4.62 2.11 2.03 -1.26 -5.02 116.55 109.86 2khr n ASP 11 Ca -0.07 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.82 2khr n ASP 11 Cb 0.55 0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.94 2khr n ASP 11 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2khr s ASP 12 N -3.17 6.52 -0.05 1.67 2.15 -1.26 -4.99 116.67 117.54 2khr s ASP 12 Ca 0.00 1.01 -0.19 0.00 0.43 0.00 0.00 52.55 53.79 2khr s ASP 12 Cb 0.00 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.03 2khr s ASP 12 CO 0.00 -1.24 0.54 0.20 -0.17 0.00 0.00 175.17 174.49 2khr s ASN 13 N 3.27 6.85 0.00 -0.34 0.01 -1.26 -4.94 114.94 118.53 2khr s ASN 13 Ca 0.58 1.02 0.00 0.00 -0.71 0.00 0.00 52.86 53.75 2khr s ASN 13 Cb -0.15 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.19 2khr s ASN 13 CO 0.28 0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.56 2khr n GLY 14 N 2.70 3.84 3.77 0.66 0.00 -1.26 -5.14 105.19 109.76 2khr n GLY 14 Ca -0.07 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 2khr n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khr s ALA 15 N 0.00 3.51 0.04 4.61 0.00 -1.26 -5.01 121.76 123.66 2khr s ALA 15 Ca 0.00 -1.61 0.06 0.00 0.00 0.00 0.00 51.96 50.41 2khr s ALA 15 Cb 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 2khr s ALA 15 CO 0.00 0.16 -0.16 -0.59 0.00 0.00 0.00 175.76 175.17 2khr s PHE 16 N -2.28 1.43 0.33 0.00 -0.12 -1.26 -0.05 117.98 116.03 2khr s PHE 16 Ca 0.35 -0.36 0.09 0.00 -0.05 0.00 0.00 56.93 56.96 2khr s PHE 16 Cb -0.06 -0.84 -0.05 0.00 -0.63 0.00 0.00 43.02 41.43 2khr s PHE 16 CO 0.24 0.06 0.01 -0.06 -0.05 0.00 0.00 175.22 175.42 2khr s PHE 17 N -0.85 2.56 -0.60 3.49 0.40 0.10 -3.64 117.98 119.43 2khr s PHE 17 Ca 0.04 -0.41 -0.20 0.00 -0.60 0.00 0.00 56.93 55.76 2khr s PHE 17 Cb -0.08 -1.45 0.09 0.00 0.51 0.00 0.00 43.02 42.10 2khr s PHE 17 CO 0.02 0.49 0.76 0.08 0.70 0.00 0.00 175.22 177.27 2khr s VAL 18 N -2.49 4.71 -0.17 -0.44 1.01 -0.46 -0.76 120.40 121.79 2khr s VAL 18 Ca 0.34 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 2khr s VAL 18 Cb -0.01 -4.53 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 2khr s VAL 18 CO 0.19 -1.19 -0.03 -0.22 0.00 0.00 0.00 175.10 173.85 2khr s LEU 19 N 3.01 3.20 -0.06 3.92 2.96 0.05 -0.77 118.68 130.98 2khr s LEU 19 Ca 0.14 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 2khr s LEU 19 Cb -0.22 -1.78 0.00 0.00 0.50 0.00 0.00 46.19 44.69 2khr s LEU 19 CO 0.07 0.13 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.37 2khr s VAL 20 N 0.59 1.51 0.39 1.68 1.01 -0.21 -2.60 120.40 122.76 2khr s VAL 20 Ca -0.02 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2khr s VAL 20 Cb -0.14 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2khr s VAL 20 CO 0.02 0.43 0.61 0.21 0.00 0.00 0.00 175.10 176.38 2khr s ASN 21 N 0.29 6.25 0.60 3.32 3.84 -1.26 -1.50 114.94 126.48 2khr s ASN 21 Ca -0.11 0.55 0.39 0.00 0.21 0.00 0.00 52.86 53.90 2khr s ASN 21 Cb -0.14 -2.04 1.94 0.00 -0.55 0.00 0.00 41.25 40.45 2khr s ASN 21 CO 0.04 -0.40 2.18 -0.78 -2.79 0.00 0.00 177.10 175.36 2khr h ASP 22 N 0.60 0.00 -0.17 -4.21 3.58 -1.82 -0.46 116.42 113.94 2khr h ASP 22 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2khr h ASP 22 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2khr h ASP 22 CO 0.61 0.00 0.00 -0.62 -2.88 0.00 0.00 179.24 176.35 2khr n GLU 23 N -3.04 2.12 -4.53 0.28 1.02 -1.26 -4.77 120.64 110.47 2khr n GLU 23 Ca -0.01 -1.94 -0.26 0.00 -0.02 0.00 0.00 57.16 54.93 2khr n GLU 23 Cb 0.17 -1.43 -0.10 0.00 -0.02 0.00 0.00 31.44 30.06 2khr n GLU 23 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2khr s ASP 24 N -1.60 3.85 -0.08 1.62 2.15 -0.18 -5.06 116.67 117.37 2khr s ASP 24 Ca 0.29 -1.22 0.03 0.00 0.43 0.00 0.00 52.55 52.08 2khr s ASP 24 Cb 0.19 -0.39 -0.07 0.00 -0.30 0.00 0.00 42.92 42.35 2khr s ASP 24 CO 0.27 -0.29 -0.03 0.00 -0.17 0.00 0.00 175.17 174.95 2khr n GLN 25 N -0.88 1.52 -3.61 4.34 6.02 -1.26 -3.53 117.38 119.98 2khr n GLN 25 Ca -0.05 0.02 -0.03 0.00 -0.01 0.00 0.00 57.00 56.94 2khr n GLN 25 Cb 0.64 -1.18 -0.06 0.00 1.02 0.00 0.00 30.24 30.66 2khr n GLN 25 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 2khr s HIS 26 N -2.17 -0.78 -0.08 1.08 -3.43 -1.26 -4.46 115.29 104.18 2khr s HIS 26 Ca -0.08 1.50 -0.06 0.00 -0.80 0.00 0.00 55.06 55.62 2khr s HIS 26 Cb 0.03 0.47 0.03 0.00 -1.43 0.00 0.00 32.58 31.67 2khr s HIS 26 CO 0.25 -0.39 0.21 -1.12 -2.00 0.00 0.00 174.74 171.69 2khr s SER 27 N 1.69 -0.22 -0.35 7.38 0.01 -1.07 -5.04 113.70 116.10 2khr s SER 27 Ca -0.08 0.43 -0.13 0.00 1.31 0.00 0.00 55.95 57.48 2khr s SER 27 Cb -0.05 0.39 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 2khr s SER 27 CO -0.17 -0.10 0.25 -0.76 0.41 0.00 0.00 173.24 172.87 2khr s LEU 28 N 0.49 4.60 -0.17 2.44 2.01 -1.26 -0.77 118.68 126.02 2khr s LEU 28 Ca -0.03 -0.48 0.01 0.00 0.01 0.00 0.00 54.13 53.64 2khr s LEU 28 Cb -0.05 -2.15 0.01 0.00 0.01 0.00 0.00 46.19 44.01 2khr s LEU 28 CO -0.02 -0.27 -0.17 0.86 1.01 0.00 0.00 176.35 177.75 2khr s TRP 29 N 1.73 2.77 0.45 0.29 -0.11 0.06 -4.92 118.94 119.21 2khr s TRP 29 Ca 0.06 -1.32 -0.24 0.00 1.22 0.00 0.00 56.10 55.81 2khr s TRP 29 Cb -0.18 -1.91 -0.08 0.00 -1.50 0.00 0.00 33.47 29.81 2khr s TRP 29 CO 0.11 -0.64 1.28 -1.25 -4.62 0.00 0.00 176.95 171.83 2khr s PRO 30 N 1.06 3.74 0.00 5.86 0.04 -1.26 0.00 135.00 144.44 2khr s PRO 30 Ca -0.01 2.09 0.23 0.00 0.04 0.00 0.00 61.00 63.34 2khr s PRO 30 Cb -0.14 -2.56 1.29 0.00 0.04 0.00 0.00 34.50 33.12 2khr s PRO 30 CO -0.06 -0.66 1.73 1.33 0.04 0.00 0.00 177.00 179.38 2khr n VAL 31 N -0.27 0.10 0.59 -0.36 0.24 0.93 -1.78 118.33 117.79 2khr n VAL 31 Ca 0.06 0.02 0.11 0.00 -2.04 0.00 0.00 64.34 62.50 2khr n VAL 31 Cb 0.45 -0.67 0.26 0.00 -1.47 0.00 0.00 33.84 32.41 2khr n VAL 31 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2khr n PHE 32 N -1.09 0.42 -4.14 6.34 7.35 -1.26 -4.94 117.46 120.14 2khr n PHE 32 Ca 0.15 -0.21 -0.23 0.00 -0.76 0.00 0.00 57.45 56.40 2khr n PHE 32 Cb 0.11 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.87 2khr n PHE 32 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2khr s ALA 33 N -1.58 3.43 0.27 3.13 0.00 -0.73 -5.11 121.76 121.18 2khr s ALA 33 Ca 0.36 -1.77 -0.29 0.00 0.00 0.00 0.00 51.96 50.26 2khr s ALA 33 Cb 0.21 -0.77 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 2khr s ALA 33 CO 0.30 0.09 1.05 -0.51 0.00 0.00 0.00 175.76 176.69 2khr s ASP 34 N -3.81 7.36 -0.22 0.00 1.01 -1.26 -4.98 116.67 114.76 2khr s ASP 34 Ca 0.36 2.17 -0.01 0.00 0.71 0.00 0.00 52.55 55.78 2khr s ASP 34 Cb -0.04 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.29 2khr s ASP 34 CO 0.22 -0.07 -0.11 -0.63 0.21 0.00 0.00 175.17 174.79 2khr s ILE 35 N -1.19 2.63 0.00 0.77 1.01 -1.26 -5.09 121.20 118.08 2khr s ILE 35 Ca 0.44 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2khr s ILE 35 Cb -0.30 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 39.92 2khr s ILE 35 CO 0.38 0.34 0.00 -0.81 0.00 0.00 0.00 174.94 174.85 2khr n PRO 36 N 4.66 0.00 -3.90 2.79 -0.04 -1.26 -5.12 135.00 132.12 2khr n PRO 36 Ca -0.18 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.18 2khr n PRO 36 Cb 0.48 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.88 2khr n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2khr s ALA 37 N -4.00 -0.23 -0.56 0.55 0.00 -1.26 -4.91 121.76 111.34 2khr s ALA 37 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2khr s ALA 37 Cb 0.00 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.97 2khr s ALA 37 CO 0.00 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2khr n GLY 38 N -0.24 0.13 3.46 0.00 0.00 -1.26 -5.03 105.19 102.25 2khr n GLY 38 Ca -0.08 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 2khr n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2khr s TRP 39 N -2.32 2.35 -0.03 1.61 1.48 -1.26 -3.57 118.94 117.19 2khr s TRP 39 Ca 0.00 -0.33 0.01 0.00 -1.06 0.00 0.00 56.10 54.71 2khr s TRP 39 Cb 0.00 -1.12 0.03 0.00 -1.16 0.00 0.00 33.47 31.22 2khr s TRP 39 CO 0.00 0.57 -0.01 1.03 -4.06 0.00 0.00 176.95 174.48 2khr s ARG 40 N -2.96 0.42 -0.53 3.25 1.81 -0.56 -4.97 118.95 115.41 2khr s ARG 40 Ca 0.24 0.03 -0.22 0.00 -1.72 0.00 0.00 55.73 54.06 2khr s ARG 40 Cb -0.07 -0.56 0.05 0.00 -0.45 0.00 0.00 34.95 33.91 2khr s ARG 40 CO 0.12 -0.12 0.83 0.08 -0.68 0.00 0.00 175.30 175.53 2khr s VAL 41 N 0.99 4.57 0.11 3.52 1.01 -1.26 -1.05 120.40 128.29 2khr s VAL 41 Ca -0.10 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 2khr s VAL 41 Cb -0.14 -4.45 -0.22 0.00 0.00 0.00 0.00 36.38 31.58 2khr s VAL 41 CO -0.01 -0.99 1.24 0.58 0.00 0.00 0.00 175.10 175.91 2khr h VAL 42 N 5.96 1.40 -2.53 2.92 2.07 -1.35 -3.47 116.25 121.26 2khr h VAL 42 Ca -0.27 -2.57 -0.09 0.00 0.82 0.00 0.00 66.70 64.60 2khr h VAL 42 Cb 1.08 2.57 -0.19 0.00 -1.52 0.00 0.00 31.29 33.22 2khr h VAL 42 CO 1.04 0.77 -0.04 -2.28 0.02 0.00 0.00 177.57 177.08 2khr s HIS 43 N -3.10 -0.42 0.00 1.57 2.46 -1.25 -5.03 115.29 109.52 2khr s HIS 43 Ca -0.06 0.69 0.00 0.00 0.47 0.00 0.00 55.06 56.16 2khr s HIS 43 Cb 0.08 0.26 0.00 0.00 -0.13 0.00 0.00 32.58 32.79 2khr s HIS 43 CO 0.88 -0.51 0.00 0.41 -2.47 0.00 0.00 174.74 173.05 2khr n GLY 44 N 1.05 0.46 3.53 1.59 0.00 -1.26 -1.36 105.19 109.20 2khr n GLY 44 Ca -0.20 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 2khr n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2khr s GLU 45 N 0.00 3.24 0.33 1.61 4.04 -1.24 -4.31 118.70 122.38 2khr s GLU 45 Ca 0.00 -0.55 0.08 0.00 0.04 0.00 0.00 54.97 54.54 2khr s GLU 45 Cb 0.00 -4.38 -0.06 0.00 0.02 0.00 0.00 34.13 29.71 2khr s GLU 45 CO 0.00 -2.07 -0.06 0.00 -1.84 0.00 0.00 175.26 171.29 2khr s ALA 46 N 5.16 2.79 0.05 -0.84 0.00 -1.26 -5.02 121.76 122.63 2khr s ALA 46 Ca 0.34 -2.07 -0.38 0.00 0.00 0.00 0.00 51.96 49.85 2khr s ALA 46 Cb -0.09 0.08 -0.18 0.00 0.00 0.00 0.00 23.12 22.93 2khr s ALA 46 CO 0.10 -0.01 1.18 0.43 0.00 0.00 0.00 175.76 177.46 2khr n SER 47 N -0.76 0.74 -0.15 0.00 7.64 -1.26 -4.65 113.62 115.18 2khr n SER 47 Ca -0.05 1.14 -0.03 0.00 1.01 0.00 0.00 58.87 60.94 2khr n SER 47 Cb 0.64 -1.05 0.04 0.00 -1.01 0.00 0.00 64.21 62.83 2khr n SER 47 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2khr h ARG 48 N 3.65 0.04 -0.50 1.43 9.65 -1.98 0.22 114.38 126.89 2khr h ARG 48 Ca -0.49 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.32 2khr h ARG 48 Cb 1.39 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.93 2khr h ARG 48 CO 0.71 0.03 0.04 0.00 2.80 0.00 0.00 179.97 183.54 2khr h ALA 49 N 1.47 1.13 -0.37 2.80 0.00 -1.99 -1.14 119.26 121.15 2khr h ALA 49 Ca 0.24 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2khr h ALA 49 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2khr h ALA 49 CO -0.46 0.57 -0.23 0.00 0.00 0.00 0.00 179.25 179.12 2khr h ALA 50 N 1.28 0.89 -0.27 0.00 0.00 -1.45 0.56 119.26 120.27 2khr h ALA 50 Ca 0.15 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2khr h ALA 50 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2khr h ALA 50 CO 0.01 0.62 0.02 0.00 0.00 0.00 0.00 179.25 179.91 2khr h LEU 52 N 0.25 0.01 -0.50 0.00 3.38 -1.03 -0.99 115.31 116.44 2khr h LEU 52 Ca 0.08 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2khr h LEU 52 Cb 0.39 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2khr h LEU 52 CO 0.01 0.02 0.29 -0.78 0.09 0.00 0.00 178.44 178.07 2khr h ASP 53 N 0.05 0.45 -0.04 -0.43 3.58 -0.82 -0.42 116.42 118.80 2khr h ASP 53 Ca 0.03 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.52 2khr h ASP 53 Cb 0.02 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 2khr h ASP 53 CO -0.04 0.32 -0.12 0.22 -2.88 0.00 0.00 179.24 176.73 2khr h TYR 54 N 0.57 -0.31 -0.10 0.28 3.20 -0.56 -0.45 116.97 119.60 2khr h TYR 54 Ca 0.21 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.92 2khr h TYR 54 Cb 0.05 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2khr h TYR 54 CO -0.07 -0.19 -0.66 -0.39 -1.64 0.00 0.00 178.16 175.21 2khr h VAL 55 N -0.19 1.36 0.00 1.81 -1.51 -0.93 -2.61 116.25 114.19 2khr h VAL 55 Ca 0.06 -2.02 -0.13 0.00 -1.23 0.00 0.00 66.70 63.38 2khr h VAL 55 Cb 0.27 2.00 -0.02 0.00 -2.13 0.00 0.00 31.29 31.41 2khr h VAL 55 CO -0.16 0.61 -0.60 -0.33 -1.23 0.00 0.00 177.57 175.86 2khr h GLU 56 N 0.29 0.00 0.00 5.19 5.08 -0.95 -2.22 114.58 121.98 2khr h GLU 56 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2khr h GLU 56 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2khr h GLU 56 CO 0.11 0.60 0.00 0.87 -1.00 0.00 0.00 179.01 179.60 2khr h LYS 57 N 0.00 0.00 -0.13 2.33 1.57 -0.90 -2.68 116.57 116.76 2khr h LYS 57 Ca -0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2khr h LYS 57 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2khr h LYS 57 CO 0.08 0.00 -0.29 -0.91 -0.57 0.00 0.00 179.45 177.76 2khr h ASN 58 N 0.00 0.49 -2.42 0.86 -0.26 -1.02 -3.47 115.58 109.75 2khr h ASN 58 Ca 0.00 -0.57 -0.40 0.00 -0.56 0.00 0.00 56.30 54.78 2khr h ASN 58 Cb 0.54 -0.14 -0.07 0.00 -1.06 0.00 0.00 38.32 37.59 2khr h ASN 58 CO 0.00 0.96 -0.46 1.87 -1.06 0.00 0.00 177.43 178.75 2khr n TRP 59 N -4.41 -0.72 -4.50 1.19 -0.00 -1.01 -4.95 117.44 103.04 2khr n TRP 59 Ca -0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 57.50 57.18 2khr n TRP 59 Cb 0.47 -3.64 -0.13 0.00 -0.00 0.00 0.00 31.31 28.00 2khr n TRP 59 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2khr s THR 60 N -2.87 1.74 -0.68 5.87 2.01 -1.26 -5.06 115.64 115.39 2khr s THR 60 Ca 0.00 -1.37 -0.26 0.00 0.31 0.00 0.00 61.69 60.37 2khr s THR 60 Cb 0.00 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 2khr s THR 60 CO 0.00 0.10 2.04 -0.62 -0.69 0.00 0.00 174.62 175.45 2khr s ASP 61 N -1.51 4.95 -0.68 3.53 2.15 -1.26 -4.80 116.67 119.05 2khr s ASP 61 Ca 0.08 0.20 -0.26 0.00 0.43 0.00 0.00 52.55 53.00 2khr s ASP 61 Cb -0.09 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 40.03 2khr s ASP 61 CO 0.03 -2.71 1.19 -0.22 -0.17 0.00 0.00 175.17 173.29 2khr s LEU 62 N 10.47 3.48 -0.02 -1.34 2.96 -1.23 -4.99 118.68 128.01 2khr s LEU 62 Ca 0.76 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 54.34 2khr s LEU 62 Cb -0.12 -2.70 -0.02 0.00 0.50 0.00 0.00 46.19 43.85 2khr s LEU 62 CO 0.15 -1.65 -0.21 -0.13 -1.32 0.00 0.00 176.35 173.19 2khr s ARG 63 N 5.17 2.23 0.19 1.98 0.52 -1.26 -4.63 118.95 123.15 2khr s ARG 63 Ca 0.34 -0.86 -0.32 0.00 -0.52 0.00 0.00 55.73 54.38 2khr s ARG 63 Cb -0.10 -2.17 -0.11 0.00 0.52 0.00 0.00 34.95 33.10 2khr s ARG 63 CO 0.17 0.58 1.63 -1.25 0.02 0.00 0.00 175.30 176.45 2khr s PRO 64 N -0.75 4.18 0.27 3.54 0.04 -1.26 -5.00 135.00 136.01 2khr s PRO 64 Ca 0.11 2.47 -0.14 0.00 0.04 0.00 0.00 61.00 63.48 2khr s PRO 64 Cb -0.10 -3.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 2khr s PRO 64 CO 0.00 -0.66 0.66 0.15 0.04 0.00 0.00 177.00 177.20 2khr s LYS 65 N 1.03 3.98 -0.83 4.56 3.01 -1.26 -5.01 119.74 125.22 2khr s LYS 65 Ca 0.71 0.57 -0.26 0.00 -1.01 0.00 0.00 55.97 55.98 2khr s LYS 65 Cb -0.46 -2.59 0.03 0.00 -1.01 0.00 0.00 37.83 33.79 2khr s LYS 65 CO 0.33 0.26 1.40 0.45 0.51 0.00 0.00 175.35 178.30 2khr s SER 66 N -2.17 6.16 0.05 2.83 0.15 -1.26 -4.95 113.70 114.52 2khr s SER 66 Ca 0.49 -0.72 -0.00 0.00 0.70 0.00 0.00 55.95 56.42 2khr s SER 66 Cb -0.12 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2khr s SER 66 CO 0.19 -1.81 -0.04 -1.48 1.20 0.00 0.00 173.24 171.30 2khr s LEU 67 N 5.91 2.45 -0.10 3.45 0.05 -1.26 -5.15 118.68 124.03 2khr s LEU 67 Ca 0.42 -0.93 -0.00 0.00 0.05 0.00 0.00 54.13 53.68 2khr s LEU 67 Cb -0.06 0.15 0.02 0.00 -2.05 0.00 0.00 46.19 44.25 2khr s LEU 67 CO 0.07 -0.54 -0.07 -0.13 -0.55 0.00 0.00 176.35 175.13 2khr s ARG 68 N -3.54 1.41 -0.02 1.48 0.52 -1.26 -5.13 118.95 112.41 2khr s ARG 68 Ca 0.04 -0.23 -0.09 0.00 -0.52 0.00 0.00 55.73 54.93 2khr s ARG 68 Cb 0.05 -1.44 -0.05 0.00 0.52 0.00 0.00 34.95 34.03 2khr s ARG 68 CO -0.08 -0.21 0.29 0.34 0.02 0.00 0.00 175.30 175.65 2khr s ASP 69 N 1.53 6.56 -0.96 0.23 2.15 -1.26 -5.04 116.67 119.88 2khr s ASP 69 Ca 0.01 0.66 -0.15 0.00 0.43 0.00 0.00 52.55 53.50 2khr s ASP 69 Cb -0.13 -2.13 0.18 0.00 -0.30 0.00 0.00 42.92 40.54 2khr s ASP 69 CO -0.06 0.30 1.05 0.00 -0.17 0.00 0.00 175.17 176.30 2khr s ALA 70 N -1.19 3.86 -0.76 3.66 0.00 -1.26 -4.98 121.76 121.09 2khr s ALA 70 Ca 0.24 -3.17 -0.21 0.00 0.00 0.00 0.00 51.96 48.83 2khr s ALA 70 Cb -0.14 -3.83 0.10 0.00 0.00 0.00 0.00 23.12 19.25 2khr s ALA 70 CO 0.13 -2.63 1.00 1.41 0.00 0.00 0.00 175.76 175.67 2khr s MET 71 N 1.22 3.30 -0.04 0.00 1.75 -1.26 -5.01 119.30 119.26 2khr s MET 71 Ca 0.29 -1.26 0.05 0.00 -1.25 0.00 0.00 55.69 53.51 2khr s MET 71 Cb -0.07 -4.51 -0.02 0.00 2.84 0.00 0.00 34.83 33.07 2khr s MET 71 CO -0.08 -1.77 -0.17 0.54 -0.65 0.00 0.00 175.02 172.89 2khr s VAL 72 N 3.35 2.82 0.12 10.11 0.11 -1.26 -5.13 120.40 130.53 2khr s VAL 72 Ca 0.25 -0.82 0.04 0.00 -2.93 0.00 0.00 61.98 58.52 2khr s VAL 72 Cb -0.13 -2.08 -0.04 0.00 -1.53 0.00 0.00 36.38 32.60 2khr s VAL 72 CO 0.02 0.59 0.14 -1.83 -3.33 0.00 0.00 175.10 170.69 2khr s GLU 73 N -0.70 3.00 0.00 1.54 1.03 -1.26 -5.34 118.70 116.97 2khr s GLU 73 Ca 0.11 -0.74 0.00 0.00 0.03 0.00 0.00 54.97 54.37 2khr s GLU 73 Cb -0.10 -2.74 0.00 0.00 -0.80 0.00 0.00 34.13 30.48 2khr s GLU 73 CO 0.00 0.53 0.00 -3.47 -1.33 0.00 0.00 175.26 170.99